Geometry & MOs

Info

ID:	183137
PubChem CID:	76983310
Reduced:	OSN3C11H15 (1)
Stoich.:	ABC3D11E15 (1)
Weight, g/mol:	375.06007
ΔH_f, kcal/mol:	-27.52
Dipole, Da:	4.49
IP(EA), eV:	-8.64(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-bromo-4-(3-chloroprop-2-enoxy)-5-ethoxyphenyl]methyl]-2-methylpropan-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1SC2NCCC(=O)N2)N

DOS

IR

Vibrations